1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C22H30N4O2 — CID 45164506

IUPAC1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCNC(=O)c1nn(Cc2ccccc2)c2c1CC(N1CCC(O)CC1)CC2
InChIInChI=1S/C22H30N4O2/c1-2-23-22(28)21-19-14-17(25-12-10-18(27)11-13-25)8-9-20(19)26(24-21)15-16-6-4-3-5-7-16/h3-7,17-18,27H,2,8-15H2,1H3,(H,23,28)
InChIKeyKJXFNUDIWFFCPN-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.00
Rot. Bonds5

About 1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45164506) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45164506
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCNC(=O)c1nn(Cc2ccccc2)c2c1CC(N1CCC(O)CC1)CC2
InChIInChI=1S/C22H30N4O2/c1-2-23-22(28)21-19-14-17(25-12-10-18(27)11-13-25)8-9-20(19)26(24-21)15-16-6-4-3-5-7-16/h3-7,17-18,27H,2,8-15H2,1H3,(H,23,28)
InChIKeyKJXFNUDIWFFCPN-UHFFFAOYSA-N
XLogP2.00
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-1-benzyl-N-ethyl-5-pyrrolidin-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26143697
(5R)-5-(4-hydroxypiperidin-1-yl)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26144826
1-benzyl-N-ethyl-5-(3-hydroxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164384
N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165470
1-benzyl-5-(dimethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162755
1-benzyl-N,N-dimethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165010
1-benzyl-N,N-dimethyl-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165410
5-(azocan-1-yl)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45163019
(5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26226486
5-[4-(acetamidomethyl)piperidin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56704147
1-benzyl-N,N-dimethyl-5-(3-phenylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161434
ethyl 1-benzyl-3-[[(2R)-2-cyclohexylpropyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate
CID 143116465

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45164506) is 1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CCNC(=O)c1nn(Cc2ccccc2)c2c1CC(N1CCC(O)CC1)CC2.
What is the InChIKey of 1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is KJXFNUDIWFFCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-2-23-22(28)21-19-14-17(25-12-10-18(27)11-13-25)8-9-20(19)26(24-21)15-16-6-4-3-5-7-16/h3-7,17-18,27H,2,8-15H2,1H3,(H,23,28).
What are the key properties of 1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45164506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).